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Issue 18, 2017
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The effect of chemical ordering and lattice mismatch on structural transitions in phase segregating nanoalloys

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Abstract

We elucidate the effect of lattice mismatch and chemical ordering on structural transitions in bimetallic nanoalloys of ∼1.5 nm. We show that collective screw dislocation motions happen in small mismatch shell@core systems while strongly mismatched ones favour incomplete outer shell rearrangements. Cooperative transitions can also become hindered when the chemical ordering breaks the geometrical symmetry. Escaping from an unfavourable morphological basin occurs first via re-arrangements of the geometry and then changes towards a better chemical pattern. We observe that the chemical re-ordering mechanisms are independent of system composition and stoichiometry but hinge on the initial and final chemical arrangements.

Graphical abstract: The effect of chemical ordering and lattice mismatch on structural transitions in phase segregating nanoalloys

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Publication details

The article was received on 03 Mar 2017, accepted on 31 Mar 2017 and first published on 03 Apr 2017


Article type: Paper
DOI: 10.1039/C7CP01397C
Citation: Phys. Chem. Chem. Phys., 2017,19, 11057-11063
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    The effect of chemical ordering and lattice mismatch on structural transitions in phase segregating nanoalloys

    K. Rossi and F. Baletto, Phys. Chem. Chem. Phys., 2017, 19, 11057
    DOI: 10.1039/C7CP01397C

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